Publications of L. Delle Site

Journal Article (94)

2002
Journal Article
Delle Site, L.: Bader's interatomic surfaces are unique. Theoretical Chemistry Accounts 107 (6), pp. 378 - 380 (2002)
Journal Article
Delle Site, L.; Lynden-Bell, R. M.; Alavi, A.: What can classical simulators learn from ab initio simulations? Journal of Molecular Liquids (Sp. Iss. SI), pp. 79 - 86 (2002)
Journal Article
Cappelluti, E.; Delle Site, L.: Generalized Thomas-Fermi approach for systems under pressure. Physica A 303 (3-4), pp. 481 - 492 (2002)
Journal Article
Delle Site, L.: Bader's interatomic surface and Bohmian mechanics. Europhysics Letters 57 (1), pp. 20 - 24 (2002)
Journal Article
Lynden-Bell, R. M.; Delle Site, L.; Alavi, A.: Structures of adsorbed water layers on MgO: an ab initio study. Surface Science 496 (1-2), pp. L1 - L6 (2002)
2001
Journal Article
Delle Site, L.: Two Algorithms for Defining Atoms and Molecules in Condensed Phases. Molecular Simulation 26, p. 217 (2001)
Journal Article
Delle Site, L.: A Statistical Interpretation of Bader's Definition of Interatomic Surface. Physics Letters A 286, pp. 61 - 64 (2001)
Journal Article
Delle Site, L.: On the Relevance of the Wavefunction's Phase Factor for Understanding Topological Properties of Atoms and Molecules in Condensed Phases: A simple Example. International Journal of Modern Physics B 15, pp. 403 - 408 (2001)
Journal Article
Delle Site, L.: On the Correspondence between Classical and Quantum Mechanics in Defining Atoms and Molecules in Condensed Systems. International Journal of Modern Physics B 15, pp. 2485 - 2490 (2001)
Journal Article
Delle Site, L.: Methane in Water: An ab initio Study. Molecular Simulation 26, p. 353 (2001)
Journal Article
Delle Site, L.: Equation of State of Compressed Matter: A Simple Statistical Model. Physica A 293, pp. 71 - 82 (2001)
Journal Article
Hahn, O.; Delle Site, L.; Kremer, K.: Simulation of Polymer Melts: From Spherical to Ellipsoidal Beads. Macromolecular Theory and Simulations 10, pp. 288 - 303 (2001)
2000
Journal Article
Delle Site, L.: Interatomic Surfaces in Condensed Systems: A Quantum-Classical Analysis. International Journal of Modern Physics B 14, pp. 771 - 781 (2000)
Journal Article
Delle Site, L.; Alavi, A.; Lynden-Bell, R. M.: The Structure and Spectroscopy of Monolayers of Water on MgO: An ab initio Study. Journal of Chemical Physics 113, pp. 3344 - 3350 (2000)

Book Chapter (4)

2018
Book Chapter
Praprotnik, M.; Cortes Huerto, R.; Potestio, R.; Delle Site, L.: Adaptive Resolution Molecular Dynamics Technique. In: Handbook of Materials Modeling, pp. 1 - 15 (Eds. Andreoni, W.; Yip, S.). Springer, Cham (2018)
2009
Book Chapter
Junghans, C.; Praprotnik, M.; Delle Site, L.: Adaptive Resolution Schemes. In: Multiscale Simulation Methods in Molecular Sciences, pp. 359 - 379 (Eds. Grotendorst; J.; Attig; N.; Blügel et al.). Forschungszentrum Jülich, Jülich (2009)
2006
Book Chapter
Hamilton, I. P.; Mosna, R. A.; Delle Site, L.: Quantum-classical correspondence for the kinetic energy. In: Lecture Series on Computer and Computational Science, Volume 1, pp. 1 - 4 (Eds. Simos, T.; Maroulis, G.). Brill Academic Publishers, Leiden (2006)
2002
Book Chapter
Abrams, C.; Delle Site, L.; Kremer, K.: Multiscale computer simulations for polymeric materials in bulk and near surfaces. In: Bridging Time Scales: Molecular Simulations for the Next Decade, pp. 143 - 164 (Eds. Nielaba, P.; Mareschal, M.; Ciccotti, G.). Springer, Berlin/Heidelberg (2002)

Meeting Abstract (1)

2013
Meeting Abstract
Donadio, D.; Peköz, R.; Woerner, S.; Ghiringhelli, L. M.; Delle Site, L.: Autocatalytic and cooperatively-stabilized dissociative adsorption of water on stepped metal surfaces. In Abstracts of Papers of the American Chemical Society, 245, 7-COMP. (2013)
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